SCHEMBL31246270

C[C@@]1([C@@H]2CC[C@@H]3C[C@@]2(C=O)C[C@]3(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)C(=O)OC(O)[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SELP	P16109	1/20	0.35

▸	ACHE	P22303	1/20	0.33

▸	SYNJ2	O15056	2/20	0.32

▸	PTPN1	P18031	1/20	0.32

▸	XDH	P47989	2/20	0.30

▸	ATP1A1	P05023	4/20	0.30

▸	ATP1B1	P05026	4/20	0.30

▸	ATP1A3	P13637	4/20	0.30

▸	ATP1B2	P14415	4/20	0.30

▸	ATP1A2	P50993	4/20	0.30

▸	ATP1B3	P54709	4/20	0.30

▸	FXYD2	P54710	4/20	0.30

▸	ATP1A4	Q13733	4/20	0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL1369634	0.86	SELP (0.39)	SELPSYNJ2PTPN1ATP1A1ATP1B1
SCHEMBL14783063	0.86	SELP (0.39)	SELPSYNJ2PTPN1ATP1A1ATP1B1
SCHEMBL13401529	0.69	SELP (0.66)	SELPACHEPTPN1XDH
SCHEMBL29993378	0.68	SELP (0.44)	SELPACHESYNJ2PTPN1XDH
SCHEMBL30723000	0.67	HSD11B1 (0.62)	SELPACHESYNJ2PTPN1XDH
SCHEMBL29993031	0.67	SELP (0.45)	SELPACHESYNJ2XDH
SCHEMBL527086	0.67	SELP (0.45)	SELPACHESYNJ2XDH
SCHEMBL29440878	0.65	HSD11B1 (0.59)	SELPACHESYNJ2PTPN1XDH
SCHEMBL27611894	0.59	SYNJ2 (0.44)	ACHESYNJ2PTPN1
SCHEMBL30883357	0.55	ACHE (0.50)	ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024210297-A1	NOVEL COMPOUND DERIVED FROM CHESTNUT PERICARP AND COMPOSITION CONTAINING SAME FOR REDUCING HAIR LOSS	연세대학교 산학협력단	2024-10-10	—	—	WO	disclosed